• Hi, This is Yang Zhang 👋🏻 (miemiemmmm 🐑🐏🐑🐏)
• I’m interested in Computer-aided Drug Design with the assistance of molecular dynamics simulations and machine learning.
• Actively exploring the convergence of physics-based and data-driven methods in drug discovery.
• Proactively comparing oranges 🍊 with apples 🍎 and trying to characterize the differences between them.
• A string of apples 🍎 means that the tree is likely to be an apple tree 🌳, but it is not always the case.
• Could be a basket 🧺 of apples hanging on a tree 🌳.
• Could also be someone having picnic under the tree 🌳 with apple🍎, orange🍊, banana🍌, and grapes🍇.
• But if a tree showcases apple blossoms swaying in the wind🌬️, young apples maturing under moonlight🌙, fledgling fruits enduring rain🌧️, and emits a rosy fragrance🌸, it is confident to be an apple tree 🍎🌳.
• This is also the same case for drug discovery.

✨ Computational Chemistry Tools:
Molecular Dynamics: Gromacs, Amber, OpenMM, CAMPARI
Trajectory Analysis: Pytraj, Cpptraj, MDTraj, MMGBSA
Ligand Parameterization: CGenFF, Antechamber
Cheminformatics Computation: Openbabel, RDKit, OpenEye
Molecular Visualization and Modelling: UCSF Chimera, MOE, PyMol, ACGui
Molecular Docking: SEED, AutoDock Vina, OpenEye FRED, Gold

✨ Programming Languages:
Python          ⣿⣿⣿⣿⣿⣿⣿⣿⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀   40% 
C++             ⣿⣿⣿⣿⣿⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀   25%
Shell           ⣿⣿⣿⣿⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀   20%
JavaScript      ⣿⣿⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀   10%
HTML/CSS        ⣿⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀   3%
SQL             ⣿⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀   2%

✨ Operating System:
Linux           ⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣀⣀⣀⣀   80%
Windows         ⣿⣿⣿⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀   15% 
Mac             ⣿⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀⣀   5%

💬Also find me at:

Linkedin

Github

Caflisch Lab